4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

C16H18F2N4 — CID 124953664

IUPAC4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESNc1nccc([C@@H]2CCCCN2Cc2c(F)cccc2F)n1
InChIInChI=1S/C16H18F2N4/c17-12-4-3-5-13(18)11(12)10-22-9-2-1-6-15(22)14-7-8-20-16(19)21-14/h3-5,7-8,15H,1-2,6,9-10H2,(H2,19,20,21)/t15-/m0/s1
InChIKeyDWRTWLULERAVIT-HNNXBMFYSA-N
MW304.34 g/mol
LogP3.06
Rot. Bonds3

About 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 124953664) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID124953664
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESNc1nccc([C@@H]2CCCCN2Cc2c(F)cccc2F)n1
InChIInChI=1S/C16H18F2N4/c17-12-4-3-5-13(18)11(12)10-22-9-2-1-6-15(22)14-7-8-20-16(19)21-14/h3-5,7-8,15H,1-2,6,9-10H2,(H2,19,20,21)/t15-/m0/s1
InChIKeyDWRTWLULERAVIT-HNNXBMFYSA-N
XLogP3.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244811
4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124968293
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128994066
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682326
4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 132776569
(2S)-1-[(2,6-difluorophenyl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487395
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 124953664) is 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is Nc1nccc([C@@H]2CCCCN2Cc2c(F)cccc2F)n1.
What is the InChIKey of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is DWRTWLULERAVIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18F2N4/c17-12-4-3-5-13(18)11(12)10-22-9-2-1-6-15(22)14-7-8-20-16(19)21-14/h3-5,7-8,15H,1-2,6,9-10H2,(H2,19,20,21)/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 304.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 124953664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).